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Information card for entry 4074865
Preview
Coordinates | 4074865.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H21 N O Zr |
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Calculated formula | C18 H21 N O Zr |
SMILES | [Zr]123456789(O[N]1(C)c1ccccc1)(C)([cH]1[cH]4[cH]3[cH]2[cH]51)[cH]1[cH]8[cH]7[cH]6[cH]91 |
Title of publication | Formation of a Dynamic η2(O,N)-Hydroxylaminato Zirconocene Complex by Nitrosoarene Insertion into a Zr−C σ-Bond |
Authors of publication | Cummings, Sarah A.; Radford, Robert; Erker, Gerhard; Kehr, Gerald; Fröhlich, Roland |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 4 |
Pages of publication | 839 |
a | 17.558 ± 0.001 Å |
b | 7.936 ± 0.001 Å |
c | 23.267 ± 0.001 Å |
α | 90° |
β | 97.76 ± 0.01° |
γ | 90° |
Cell volume | 3212.3 ± 0.5 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0449 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0701 |
Weighted residual factors for all reflections included in the refinement | 0.0754 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4074865.html
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Users of the data should acknowledge the original authors of the
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